SCHEMBL4786408

SCHEMBL4786408

O=C1Cc2c(ccc3c2OCCO3)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.37
SLC6A4 P31645 6/20 0.37
ADRA1D P25100 4/20 0.37
ADRA1A P35348 4/20 0.37
ADRA1B P35368 4/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
MMP12 P39900 1/20 0.36
PKM P14618 1/20 0.35
AHR P35869 3/20 0.35
PDK2 Q15119 1/20 0.35
CMA1 P23946 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
P2RX7 Q99572 1/20 0.33
PARP1 P09874 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9835971 0.86 POLB (0.41) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7412400 0.77 DRD2 (0.36) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL10305227 0.75 CREBBP (0.40) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL18289479 0.74 AHR (0.50) DRD2ADRA1ADRD4DRD3AHR
SCHEMBL13222379 0.72 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13243255 0.72 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL8122818 0.72 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL3026960 0.72 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL3032145 0.72 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL3032121 0.72 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008118935-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-E]INDOL-8-ONES NEUROGEN CORPORATION (US) 2008-10-02 WO disclosed
EP-0932609-B1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE WYETH CORP (US) 2003-05-14 EP disclosed
EP-0932609-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-04 EP disclosed
WO-1998016530-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-04-23 WO disclosed